General Information of the Compound
| Compound ID |
CP0192238
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| Compound Name |
1,2-dimethyl-4-(3-(methylthio)phenyl)-5-(quinoxalin-6-yl)-1H-pyrazol-3(2H)-one
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| Structure |
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| Formula |
C20H18N4OS
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| Molecular Weight |
362.458
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| Canonical SMILES |
CSc1cccc(c1)-c1c(-c2ccc3nccnc3c2)n(C)n(C)c1=O
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| InChI |
InChI=1S/C20H18N4OS/c1-23-19(14-7-8-16-17(12-14)22-10-9-21-16)18(20(25)24(23)2)13-5-4-6-15(11-13)26-3/h4-12H,1-3H3
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| InChIKey |
JOPRHYVSMBOIOB-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound